2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine

C16H31N — CID 81014099

IUPAC2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(C2CC(C)(C)CCC2N)C1
InChIInChI=1S/C16H31N/c1-11-7-12(2)9-13(8-11)14-10-16(3,4)6-5-15(14)17/h11-15H,5-10,17H2,1-4H3
InChIKeyRQSOCINKTJAUGP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.21
Rot. Bonds1

About 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine

2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014099) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID81014099
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(C2CC(C)(C)CCC2N)C1
InChIInChI=1S/C16H31N/c1-11-7-12(2)9-13(8-11)14-10-16(3,4)6-5-15(14)17/h11-15H,5-10,17H2,1-4H3
InChIKeyRQSOCINKTJAUGP-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
CID 81014095
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
CID 143799730
[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012713
4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81020677
4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine
CID 64632027
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
3,3,6-trimethylcyclononan-1-amine
CID 170122621
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020675

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine (CID 81014099) is 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine is CC1CC(C)CC(C2CC(C)(C)CCC2N)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is RQSOCINKTJAUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-11-7-12(2)9-13(8-11)14-10-16(3,4)6-5-15(14)17/h11-15H,5-10,17H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).